Spektraris NMR
Prosapogenin
Common Name: Prosapogenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H54O7/c1-17-8-11-31(5)24(17)19(35)15-33(7)27(31)18(34)14-22-30(4)12-10-23(29(2,3)21(30)9-13-32(22,33)6)40-28-26(38)25(37)20(36)16-39-28/h18-28,34-38H,1,8-16H2,2-7H3/t18-,19+,20-,21+,22-,23+,24-,25+,26-,27-,28+,30+,31+,32-,33-/m1/s1
InChIKey: InChIKey=PMOPRRVEBWLUHG-SYDVAVPTSA-N
Formula: C33H54O7
Molecular Weight: 562.77892
Exact Mass: 562.386954
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sahu, N.P., Koike, K., Banerjee, S., Achari, B., Nikaido, T. Phytochemistry (2001) 58, 1177-82
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 38.9 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 88.6 |
| 4 (C) | 39.7 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.6 |
| 8 (C) | 45.3 |
| 9 (CH) | 49.2 |
| 10 (C) | 37 |
| 11 (CH2) | 33.2 |
| 12 (CH) | 69.3 |
| 13 (CH) | 53.9 |
| 14 (C) | 41.8 |
| 15 (CH2) | 45.1 |
| 16 (CH) | 67.2 |
| 17 (CH) | 62.2 |
| 18 (C) | 45.38 |
| 19 (CH2) | 43.2 |
| 20 (CH2) | 29.9 |
| 21 (C) | 152.2 |
| 22 (CH2) | 106 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 17 |
| 27 (CH3) | 19.1 |
| 28 (CH3) | 16 |
| 1' (CH) | 107.7 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67.1 |
